ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate

C24H31N3O6S — CID 3488017

IUPACethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C24H31N3O6S/c1-4-33-24(29)26-14-12-25(13-15-26)23(28)18-27(17-20-8-6-5-7-9-20)34(30,31)22-16-19(2)10-11-21(22)32-3/h5-11,16H,4,12-15,17-18H2,1-3H3
InChIKeyRUZQUCMNLPHKQC-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.50
Rot. Bonds8

About ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate (PubChem CID 3488017) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate
PubChem CID3488017
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Nameethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C24H31N3O6S/c1-4-33-24(29)26-14-12-25(13-15-26)23(28)18-27(17-20-8-6-5-7-9-20)34(30,31)22-16-19(2)10-11-21(22)32-3/h5-11,16H,4,12-15,17-18H2,1-3H3
InChIKeyRUZQUCMNLPHKQC-UHFFFAOYSA-N
XLogP2.50
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2217894
N-benzyl-2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylbenzenesulfonamide
CID 3954808
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
N-ethyl-2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2990016
ethyl 1-[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxylate
CID 3638449
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzenesulfonamide
CID 2971614
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate (CID 3488017) is ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate?
The InChIKey is RUZQUCMNLPHKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-4-33-24(29)26-14-12-25(13-15-26)23(28)18-27(17-20-8-6-5-7-9-20)34(30,31)22-16-19(2)10-11-21(22)32-3/h5-11,16H,4,12-15,17-18H2,1-3H3.
What are the key properties of ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate has a molecular weight of 489.59 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 3488017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).